N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide

C23H23N3OS — CID 4848241

IUPACN-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1NC(=S)NCCc1ccccc1
InChIInChI=1S/C23H23N3OS/c27-22(25-17-19-11-5-2-6-12-19)20-13-7-8-14-21(20)26-23(28)24-16-15-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,25,27)(H2,24,26,28)
InChIKeyULLOVOOHFCVIFZ-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.15
Rot. Bonds7

About N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide

N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide (PubChem CID 4848241) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide
PubChem CID4848241
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC NameN-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1NC(=S)NCCc1ccccc1
InChIInChI=1S/C23H23N3OS/c27-22(25-17-19-11-5-2-6-12-19)20-13-7-8-14-21(20)26-23(28)24-16-15-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,25,27)(H2,24,26,28)
InChIKeyULLOVOOHFCVIFZ-UHFFFAOYSA-N
XLogP4.15
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(benzoylcarbamothioylamino)-N-benzylbenzamide
CID 4930615
2-[(4-chlorophenyl)carbamothioylamino]-N-(2-phenylethyl)benzamide
CID 100642465
2-[[2-(2-methylphenyl)acetyl]carbamothioylamino]-N-(2-phenylethyl)benzamide
CID 26163888
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
N-benzyl-2-[(4-methylbenzoyl)carbamothioylamino]benzamide
CID 4930645
N-benzyl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 4930662
2-[(2-nitrobenzoyl)carbamothioylamino]-N-(2-phenylethyl)benzamide
CID 4929909
N-benzyl-2-[(2-nitrobenzoyl)carbamothioylamino]benzamide
CID 4930570
2-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]-N-(2-phenylethyl)benzamide
CID 4956940
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
N-benzyl-3-(2-phenylethylcarbamothioylamino)benzamide
CID 17023803

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide?
The IUPAC name of N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide (CID 4848241) is N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide.
What is the SMILES notation for N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide?
The canonical SMILES for N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide is O=C(NCc1ccccc1)c1ccccc1NC(=S)NCCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide?
The InChIKey is ULLOVOOHFCVIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c27-22(25-17-19-11-5-2-6-12-19)20-13-7-8-14-21(20)26-23(28)24-16-15-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,25,27)(H2,24,26,28).
What are the key properties of N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide?
N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide has a molecular weight of 389.52 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide is sourced from PubChem (CID 4848241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).